(1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C24H27N5O4 — CID 71173144

IUPAC(1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NC(C)C(C)C)nc2ccnn12
InChIInChI=1S/C24H27N5O4/c1-12(2)14(4)26-22(30)19-11-20(29-21(27-19)9-10-25-29)23(31)28-18-8-7-15-13(3)16(24(32)33)5-6-17(15)18/h5-6,9-12,14,18H,7-8H2,1-4H3,(H,26,30)(H,28,31)(H,32,33)/t14?,18-/m0/s1
InChIKeyYHOORVAAYUCEMM-IBYPIGCZSA-N
MW449.51 g/mol
LogP2.93
Rot. Bonds6

About (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

(1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 71173144) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID71173144
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name(1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NC(C)C(C)C)nc2ccnn12
InChIInChI=1S/C24H27N5O4/c1-12(2)14(4)26-22(30)19-11-20(29-21(27-19)9-10-25-29)23(31)28-18-8-7-15-13(3)16(24(32)33)5-6-17(15)18/h5-6,9-12,14,18H,7-8H2,1-4H3,(H,26,30)(H,28,31)(H,32,33)/t14?,18-/m0/s1
InChIKeyYHOORVAAYUCEMM-IBYPIGCZSA-N
XLogP2.93
TPSA125.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 71173144) is (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NC(C)C(C)C)nc2ccnn12.
What is the InChIKey of (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is YHOORVAAYUCEMM-IBYPIGCZSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-12(2)14(4)26-22(30)19-11-20(29-21(27-19)9-10-25-29)23(31)28-18-8-7-15-13(3)16(24(32)33)5-6-17(15)18/h5-6,9-12,14,18H,7-8H2,1-4H3,(H,26,30)(H,28,31)(H,32,33)/t14?,18-/m0/s1.
What are the key properties of (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
(1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 449.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 71173144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).